SCHEMBL7930955

SCHEMBL7930955

Fc1ccc(-c2ccccc2C=CI)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
NFE2L2 Q16236 5/20 0.40
TUBB4A P04350 3/20 0.38
TUBB P07437 3/20 0.38
TUBA3C P0DPH7 3/20 0.38
TUBA1B P68363 3/20 0.38
TUBA4A P68366 3/20 0.38
TUBB4B P68371 3/20 0.38
TUBB3 Q13509 3/20 0.38
TUBB2A Q13885 3/20 0.38
TUBB8 Q3ZCM7 3/20 0.38
TUBA3E Q6PEY2 3/20 0.38
TUBA1A Q71U36 3/20 0.38
TUBA1C Q9BQE3 3/20 0.38
TUBB6 Q9BUF5 3/20 0.38
TUBB2B Q9BVA1 3/20 0.38
TUBB1 Q9H4B7 3/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7930951 1.00 SLC6A4 (0.41) SLC6A4SLC6A3PTGS2PTGS1NFE2L2
SCHEMBL7935560 0.84 BACE1 (0.46) PTGER1PTGER3PTGER2BACE1BCL2L1
SCHEMBL8175555 0.84 BACE1 (0.46) PTGER1PTGER3PTGER2BACE1BCL2L1
SCHEMBL7935558 0.84 BACE1 (0.46) PTGER1PTGER3PTGER2BACE1BCL2L1
SCHEMBL7931961 0.81 NFE2L2 (0.38) NFE2L2PTGER1PTGER3PTGER2BACE1
SCHEMBL7929270 0.81 PTGER1 (0.44) SLC6A4SLC6A3PTGS2PTGS1NFE2L2
SCHEMBL7929268 0.81 PTGER1 (0.44) SLC6A4SLC6A3PTGS2PTGS1NFE2L2
SCHEMBL7931959 0.81 NFE2L2 (0.38) NFE2L2PTGER1PTGER3PTGER2BACE1
SCHEMBL7932694 0.80 KIF11 (0.47) BACE1
SCHEMBL7932699 0.80 KIF11 (0.47) BACE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879814-B1 Triaromatic compounds, compositions containing them and uses thereof CT INTERNAT DE BR RECH S DERMA (FR) 2001-11-28 EP disclosed
US-6150413-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS; 4-(4-(BIPHENYL-2-YL)BUT-3-EN-1-YNYL)BENZOIC ACID, FOR EXAMPLE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-11-21 US disclosed
EP-0879814-A1 Triaromatic compounds, compositions containing them and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-11-25 EP disclosed